Changeset 4267 for trunk/GSASIIphsGUI.py

Timestamp:

Jan 26, 2020 12:41:22 PM (2 years ago)

Author:

vondreele

Message:

add element "Va" for vacancy with small radius, & zero scattering factors

File:

• trunk/GSASIIphsGUI.py (modified) (3 diffs)

trunk/GSASIIphsGUI.py

@@ -5212 +5212 @@
             Labels = {'_PDF1.csv':[r'$\mathsf{R,\AA}$','G(R)','RMCP G(R) for '],
                 '_PDF2.csv':[r'$\mathsf{R,\AA}$','G(R)','RMCP G(R) for '],
-                '_SQ1.csv':[r'$\mathsf{Q,\AA^-1}$','S(Q)','RMCP S(Q) for '],
-                '_SQ2.csv':[r'$\mathsf{Q,\AA^-1}$','S(Q)','RMCP S(Q) for '],
-                '_FQ1.csv':[r'$\mathsf{Q,\AA^-1}$','F(Q)','RMCP F(Q) for '],
+                '_SQ1.csv':[r'$\mathsf{Q,\AA^{-1}}$','S(Q)','RMCP S(Q) for '],
+                '_SQ2.csv':[r'$\mathsf{Q,\AA^{-1}}$','S(Q)','RMCP S(Q) for '],
+                '_FQ1.csv':[r'$\mathsf{Q,\AA^{-1}}$','F(Q)','RMCP F(Q) for '],
                 '_FT_XFQ1.csv':[r'$\mathsf{R,\AA}$','G(R)','RMCP x-ray G(R) for '],
-                '_XFQ1.csv':[r'$\mathsf{Q,\AA^-1}$','F(Q)','RMCP x-ray F(Q) for '],
+                '_XFQ1.csv':[r'$\mathsf{Q,\AA^{-1}}$','F(Q)','RMCP x-ray F(Q) for '],
                 '_bragg.csv':[r'$\mathsf{TOF,\mu s}$','Normalized Intensity','RMCP bragg for ']}
             for label in Labels:
@@ -5249 +5249 @@
 #partials plots
             Labels = {'_PDFpartials.csv':[r'$\mathsf{R,\AA}$','G(R)','RMCP G(R) partials for '],
-                '_SQ1partials.csv':[r'$\mathsf{Q,\AA^-1}$','S(Q)','RMCP S(Q) partials for '],
-                '_SQ2partials.csv':[r'$\mathsf{Q,\AA^-1}$','S(Q)','RMCP S(Q) partials for '],
-                '_FQ1partials.csv':[r'$\mathsf{Q,\AA^-1}$','F(Q)','RMCP F(Q) partials for ']}
+                '_SQ1partials.csv':[r'$\mathsf{Q,\AA^{-1}}$','S(Q)','RMCP S(Q) partials for '],
+                '_SQ2partials.csv':[r'$\mathsf{Q,\AA^{-1}}$','S(Q)','RMCP S(Q) partials for '],
+                '_FQ1partials.csv':[r'$\mathsf{Q,\AA^{-1}$','F(Q)','RMCP F(Q) partials for ']}
             for label in Labels:
                 X = []
@@ -5263 +5263 @@
                     X = np.array(X)
                     Partials = np.array(Partials).T
-                    XY = [[X.T,Y.T] for Y in Partials]
+                    if 'Q' in label:
+                        XY = [[X.T,Y.T] for iy,Y in enumerate(Partials) if 'Va' not in Names[iy+1]]
+                        Names = [name for name in Names if 'Va' not in name]
+                    else:
+                        XY = [[X.T,Y.T] for Y in Partials]
                     G2plt.PlotXY(G2frame,XY,labelX=Labels[label][0],
                         labelY=Labels[label][1],newPlot=True,Title=Labels[label][2]+pName,